(8Z)-8-(3H-1,3-benzothiazol-2-ylidene)-1-methyl-9-(3-methylbutyl)purine-2,6-dione

Systemtic Name: (8Z)-8-(3H-1,3-benzothiazol-2-ylidene)-1-methyl-9-(3-methylbutyl)purine-2,6-dione Openeye Name: (8Z)-8-(3H-1,3-benzothiazol-2-ylidene)-9-isopentyl-1-methyl-purine-2,6-dione CAS Name: (8Z)-8-(3H-1,3-benzothiazol-2-ylidene)-1-methyl-9-(3-methylbutyl)purine-2,6-dione IUPAC Name: (8Z)-8-(3H-1,3-benzothiazol-2-ylidene)-1-methyl-9-(3-methylbutyl)purine-2,6-dione Traditional Name: (8Z)-8-(3H-1,3-benzothiazol-2-ylidene)-9-isoamyl-1-methyl-xanthine Formula: C18H19N5O2S MolecularWeight: 369.44076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=C2NC3=CC=CC=C3S2)N=C4C1=NC(=O)N(C4=O)C

Isomeric SMILES

CC(C)CCN1/C(=C\2/NC3=CC=CC=C3S2)/N=C4C1=NC(=O)N(C4=O)C

InChI

InChI=1S/C18H19N5O2S/c1-10(2)8-9-23-14-13(17(24)22(3)18(25)21-14)20-15(23)16-19-11-6-4-5-7-12(11)26-16/h4-7,10,19H,8-9H2,1-3H3/b16-15-